N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide

C22H32N4O6 — CID 10551444

IUPACN-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide
SMILESCC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C22H32N4O6/c1-12(2)10-16(22(32)26-18(14(4)28)19(23)29)25-21(31)17(11-13(3)27)24-20(30)15-8-6-5-7-9-15/h5-9,12,14,16-18,28H,10-11H2,1-4H3,(H2,23,29)(H,24,30)(H,25,31)(H,26,32)/t14-,16+,17+,18+/m1/s1
InChIKeyUIGAUJIQBPKSCY-UBDQQSCGSA-N
MW448.52 g/mol
LogP-0.35
Rot. Bonds12

About N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide

N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide (PubChem CID 10551444) has the molecular formula C22H32N4O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide
PubChem CID10551444
Molecular FormulaC22H32N4O6
Molecular Weight448.52 g/mol
Exact Mass448.23
IUPAC NameN-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide
SMILESCC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C22H32N4O6/c1-12(2)10-16(22(32)26-18(14(4)28)19(23)29)25-21(31)17(11-13(3)27)24-20(30)15-8-6-5-7-9-15/h5-9,12,14,16-18,28H,10-11H2,1-4H3,(H2,23,29)(H,24,30)(H,25,31)(H,26,32)/t14-,16+,17+,18+/m1/s1
InChIKeyUIGAUJIQBPKSCY-UBDQQSCGSA-N
XLogP-0.35
TPSA167.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-hydrazinyl-1,4-dioxobutan-2-yl]benzamide
CID 15513626
(E,4S)-5-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-benzamido-2-hydroxy-5-oxopent-1-ene-1-diazonium
CID 10838249
(3S)-4-[[(2R,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 167012827
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 73346920
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide
CID 173218917
(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-benzamido-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid
CID 54085387
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
3-amino-N-[(3S)-5-methyl-2-oxohexan-3-yl]benzamide
CID 163583328
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid
CID 22656402
2-[[2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid
CID 22703576

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide (CID 10551444) is N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide is CC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)O.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide?
The InChIKey is UIGAUJIQBPKSCY-UBDQQSCGSA-N. The full InChI is InChI=1S/C22H32N4O6/c1-12(2)10-16(22(32)26-18(14(4)28)19(23)29)25-21(31)17(11-13(3)27)24-20(30)15-8-6-5-7-9-15/h5-9,12,14,16-18,28H,10-11H2,1-4H3,(H2,23,29)(H,24,30)(H,25,31)(H,26,32)/t14-,16+,17+,18+/m1/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide?
N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide has a molecular weight of 448.52 g/mol, XLogP of -0.35, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxopentan-2-yl]benzamide is sourced from PubChem (CID 10551444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).